1-methyl-2-(1-nitroethyl)pyrrolidine

C7H14N2O2 — CID 105430947

IUPAC1-methyl-2-(1-nitroethyl)pyrrolidine
SMILESCC(C1CCCN1C)[N+](=O)[O-]
InChIInChI=1S/C7H14N2O2/c1-6(9(10)11)7-4-3-5-8(7)2/h6-7H,3-5H2,1-2H3
InChIKeyULEYETVVSGQYIC-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.75
Rot. Bonds2

About 1-methyl-2-(1-nitroethyl)pyrrolidine

1-methyl-2-(1-nitroethyl)pyrrolidine (PubChem CID 105430947) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-2-(1-nitroethyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(1-nitroethyl)pyrrolidine
PubChem CID105430947
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-methyl-2-(1-nitroethyl)pyrrolidine
SMILESCC(C1CCCN1C)[N+](=O)[O-]
InChIInChI=1S/C7H14N2O2/c1-6(9(10)11)7-4-3-5-8(7)2/h6-7H,3-5H2,1-2H3
InChIKeyULEYETVVSGQYIC-UHFFFAOYSA-N
XLogP0.75
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-nitroethyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(1-nitroethyl)pyrrolidine (CID 105430947) is 1-methyl-2-(1-nitroethyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(1-nitroethyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(1-nitroethyl)pyrrolidine is CC(C1CCCN1C)[N+](=O)[O-].
What is the InChIKey of 1-methyl-2-(1-nitroethyl)pyrrolidine?
The InChIKey is ULEYETVVSGQYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(9(10)11)7-4-3-5-8(7)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-methyl-2-(1-nitroethyl)pyrrolidine?
1-methyl-2-(1-nitroethyl)pyrrolidine has a molecular weight of 158.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-nitroethyl)pyrrolidine is sourced from PubChem (CID 105430947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).